5-Chloro-2-methylbenzoic acid

C₈H₇ClO₂CAS 7499-06-1170.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 169.5–171 °C
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

7499-06-1

SMILES

Cc1ccc(Cl)cc1C(=O)O

InChIKey

CSAPESWNZDOAFU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzoic acid, 5-chloro-2-methyl-
o-Toluic acid, 5-chloro-
5-Chloro-o-toluic acid
NSC 407520
3-Chloro-6-methylbenzoic acid

Work with 5-Chloro-2-methylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-2-methylbenzoic acid7499-07-275 % similar 4-Chlorophthalic acid89-20-368 % similar 2,5-Dichlorobenzoic acid50-79-366 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 5-Chlorosalicylic acid321-14-262 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 4-Chloro-2-iodobenzoic acid13421-13-160 % similar 2-Bromo-5-chlorobenzoic acid21739-93-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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